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canSAR1526596
FEATURES
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NAMES
    SMILES
    CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O.CCOC(=O)c1cnnn1C[C@@]1(C)[C@H](C(=O)O)C2C(=O)CC2S1(=O)=O
    InChI
    InChI=1S/C15H23N3O3S.C14H17N3O7S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17;1-3-24-13(21)7-5-15-16-17(7)6-14(2)11(12(19)20)10-8(18)4-9(10)25(14,22)23/h9-11,13H,3-8H2,1-2H3,(H,20,21);5,9-11H,3-4,6H2,1-2H3,(H,19,20)/b16-9+;/t10-,11+,13-;9?,10?,11-,14-/m10/s1
    MOLECULAR FORMULA
    C29H40N6O10S2
    CROSS REFERENCES
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    canSAR1526596

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 696.22
    AlogP 0.71
    HBond donors 2
    HBond acceptors 16
    Atoms 87
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1526596.